ChemSpider 2D Image | (1alpha,3alpha,7alpha,9xi,13alpha,14beta,15beta,17alpha)-17-(3-Furyl)-4,4,8-trimethyl-14,15-epoxyandrostane-1,3,7-triyl triacetate | C32H44O8

(1α,3α,7α,9ξ,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-14,15-epoxyandrostane-1,3,7-triyl triacetate

  • Molecular FormulaC32H44O8
  • Average mass556.687 Da
  • Monoisotopic mass556.303589 Da
  • ChemSpider ID5140678
  • defined stereocentres - 9 of 11 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1α,3α,7α,9ξ,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-14,15-epoxyandrostan-1,3,7-triyl-triacetat [German] [ACD/IUPAC Name]
(1α,3α,7α,9ξ,13α,14β,15β,17α)-17-(3-Furyl)-4,4,8-trimethyl-14,15-epoxyandrostane-1,3,7-triyl triacetate [ACD/IUPAC Name]
Androstane-1,3,7-triol, 14,15-epoxy-17-(3-furanyl)-4,4,8-trimethyl-, triacetate, (1α,3α,7α,9ξ,13α,14β,15β,17α)- [ACD/Index Name]
Triacétate de (1α,3α,7α,9ξ,13α,14β,15β,17α)-17-(3-furyl)-4,4,8-triméthyl-14,15-époxyandrostane-1,3,7-triyle [French] [ACD/IUPAC Name]
18184-29-7 [RN]
HAVANENSIN TRIACETATE

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DivK1c_006143 [DBID]
KBio1_001087 [DBID]
KBio2_001008 [DBID]
KBio2_003576 [DBID]
KBio2_006144 [DBID]
KBio3_000745 [DBID]
KBioGR_001667 [DBID]
KBioSS_001008 [DBID]
SPBio_000309 [DBID]
SpecPlus_000047 [DBID]
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 583.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.2±3.0 kJ/mol
Flash Point: 306.6±30.1 °C
Index of Refraction: 1.555
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6271.74
ACD/KOC (pH 5.5): 18187.05
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6271.74
ACD/KOC (pH 7.4): 18187.05
Polar Surface Area: 105 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 48.1±5.0 dyne/cm
Molar Volume: 454.7±5.0 cm3

Click to predict properties on the Chemicalize site






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